Albomitomycin C

Base Information

• Chemical Name: Albomitomycin C
• CAS No.: 111750-67-5
• Molecular Formula: C15H18 N4 O5
• Molecular Weight: 334.33
• UNII: AD9LEA38ZF
• Nikkaji Number: J639.944D
• Mol file: 111750-67-5.mol

Synonyms:Albomitomycin C;AD9LEA38ZF;111750-67-5;((1S,2S,4aS,8aR,9S,9aR)-7-Amino-9a-methoxy-6-methyl-5,8-dioxo-1,2,3,5,8,8a,9,9a-octahydro-1,2,4a-metheno-(epinitrilo)pyrrolo(1,2-a)indol-9-yl)methyl carbamate;((1S,2S,4S,4aS,8aR,9S,9aR,10S)-7-Amino-9a-methoxy-6-methyl-5,8-dioxo-1,2,3,5,8,8a,9,9a-octahydro-1,2,4a-(epinitrilo)pyrrolo[1,2-a]indol-9-yl)methyl carbamate;1,2,5-Metheno-1H,5H-imidazo(2,1-i)indole-7,10-dione, 8-amino-6-(((aminocarbonyl)oxy)methyl)-2,3,6,6a-tetrahydro-5-methoxy-9-methyl-, (1S,2S,4S,5R,6S,6aR,10aS,11S)-;starbld0039431;UNII-AD9LEA38ZF;Mitomycin impurity D [EP];SCHEMBL18067138;MITOMYCIN IMPURITY D [EP IMPURITY];1,2,5-METHENO-1H,5H-IMIDAZO(2,1-I)INDOLE-7,10-DIONE, 8-AMINO-6-(((AMINOCARBONYL)OXY)METHYL)-2,3,6,6A-TETRAHYDRO-5-METHOXY-9-METHYL-, (1S-(1.ALPHA.,2.ALPHA.,4.BETA.,5.BETA.,6.ALPHA.,6A.ALPHA.,10AR*,11R*))-;1,2,5-Metheno-1H,5H-imidazo(2,1-i)indole-7,10-dione, 8-amino-6-(((aminocarbonyl)oxy)methyl)-2,3,6,6a-tetrahydro-5-methoxy-9-methyl-, (1S-(1alpha,2alpha,4beta,5beta,6alpha,6aalpha,10ar*,11R*))-

Chemical Property of Albomitomycin C

Chemical Property:

• Boiling Point: 568.4±50.0 °C(Predicted)
• PKA: 13.31±0.50(Predicted)
• PSA: 127.96000
• Density: 1.65±0.1 g/cm3(Predicted)
• LogP: -0.59040
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 334.12771969
• Heavy Atom Count: 24
• Complexity: 765

Purity/Quality:

99% ^*data from raw suppliers

ALBOMITOMYCIN C 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)C2C(C3(C4C5N4C2(C1=O)N3C5)OC)COC(=O)N)N
• Isomeric SMILES: CC1=C(C(=O)[C@@H]2[C@H]([C@]3([C@@H]4[C@H]5N4[C@]2(C1=O)N3C5)OC)COC(=O)N)N
• Uses: A derivative of of the antitumor compound Mitomycin C (M371900).